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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -404.9162927 | -405.1949616 | 0.2786689 | 0.0000000 | 405.1949616 | ||||||
| cm-1 | 160.2 | 272.9 | -112.8 | ||||||||
| eV | -11018.333 | 0.020 | -11018.313 | -11025.916 | 0.034 | -11025.882 | 7.583 | -0.014 | 7.569 | 0.000 | 11025.916 |